Information card for entry 4037942

Structure parameters

• Formula: C21 H18 N4
• Calculated formula: C21 H18 N4
• SMILES: N(/Nc1ccccc1)=C1/C(N(c2c1cccc2)C)=N/c1ccccc1
• Title of publication: Iodine-Catalyzed Aerobic Diazenylation-Amination of Indole Derivatives.
• Authors of publication: Sar, Saibal; Tripathi, Ankita; Dubey, Kshatresh Dutta; Sen, Subhabrata
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.066 ± 0.0007 Å
• b: 13.5727 ± 0.0011 Å
• c: 25.2821 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3454.1 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No